| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266421
Max Phase: Preclinical
Molecular Formula: C24H20O11
Molecular Weight: 484.41
Associated Items:
Representations
Canonical SMILES: O=c1ccc2ccc(O)c(-c3c(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)ccc4ccc(=O)oc34)c2o1
Standard InChI: InChI=1S/C24H20O11/c25-9-14-19(29)20(30)21(31)24(33-14)32-13-6-2-11-4-8-16(28)35-23(11)18(13)17-12(26)5-1-10-3-7-15(27)34-22(10)17/h1-8,14,19-21,24-26,29-31H,9H2/t14?,19-,20?,21?,24-/m1/s1
Standard InChI Key: GUYIGVXZPIRORS-QDQPARHTSA-N
Associated Targets(non-human)
Alpha-glucosidase 187 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 484.41 | Molecular Weight (Monoisotopic): 484.1006 | AlogP: 0.45 | #Rotatable Bonds: 4 |
| Polar Surface Area: 180.03 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.30 | CX Basic pKa: | CX LogP: 0.37 | CX LogD: 0.02 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.25 | Np Likeness Score: 1.70 |
References
| 1. Faisal M, Saeed A, Shahzad D, Fattah TA, Lal B, Channar PA, Mahar J, Saeed S, Mahesar PA, Larik FA.. (2017) Enzyme inhibitory activities an insight into the structure-Activity relationship of biscoumarin derivatives., 141 [PMID:29032032] [10.1016/j.ejmech.2017.10.009] |
Source
Source(1):